3-[(3RS)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
3-[(3RS)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
3-[(3RS)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | Y041-5166 |
| Compound Name: | 3-[(3RS)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C18 H19 N5 O4 S |
| Smiles: | C1CC(c2nnc(NC(CC[C@@H]3C(Nc4ccccc4C(N3)=O)=O)=O)s2)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4819 |
| logD: | 1.3962 |
| logSw: | -2.3936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.785 |
| InChI Key: | ZMWFKSCFQLLGOS-UEWDXFNNSA-N |